4-(1H-benzimidazol-2-ylamino)benzonitrile;methylcyclohexane

C21H24N4 — CID 144901645

IUPAC4-(1H-benzimidazol-2-ylamino)benzonitrile;methylcyclohexane
SMILESCC1CCCCC1.N#Cc1ccc(Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H10N4.C7H14/c15-9-10-5-7-11(8-6-10)16-14-17-12-3-1-2-4-13(12)18-14;1-7-5-3-2-4-6-7/h1-8H,(H2,16,17,18);7H,2-6H2,1H3
InChIKeyRYISLYSEYDFXOP-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.76
Rot. Bonds2

About 4-(1H-benzimidazol-2-ylamino)benzonitrile;methylcyclohexane

4-(1H-benzimidazol-2-ylamino)benzonitrile;methylcyclohexane (PubChem CID 144901645) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylamino)benzonitrile;methylcyclohexane.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylamino)benzonitrile;methylcyclohexane
PubChem CID144901645
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name4-(1H-benzimidazol-2-ylamino)benzonitrile;methylcyclohexane
SMILESCC1CCCCC1.N#Cc1ccc(Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H10N4.C7H14/c15-9-10-5-7-11(8-6-10)16-14-17-12-3-1-2-4-13(12)18-14;1-7-5-3-2-4-6-7/h1-8H,(H2,16,17,18);7H,2-6H2,1H3
InChIKeyRYISLYSEYDFXOP-UHFFFAOYSA-N
XLogP5.76
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-(4-methylphenyl)-1H-benzimidazol-2-amine
CID 143181783
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
N-[4-(3-cyclopentylpyrazin-2-yl)oxyphenyl]-1H-benzimidazol-2-amine
CID 58327651
6-bromo-N-[4-(1,1-difluoroethylsulfanyl)phenyl]-1H-benzimidazol-2-amine;methylcyclohexane
CID 144901570
4-(1H-benzimidazol-2-ylamino)benzoic acid
CID 10332480
N-(cyclohexylmethyl)-1H-benzimidazol-2-amine
CID 18685672
4-(1H-benzimidazol-2-ylamino)benzoic acid;bromomethane
CID 159345734
N-[(2-methylcyclohexylidene)amino]-1H-benzimidazol-2-amine
CID 4196767
N-(4-chloro-3-methylphenyl)-1H-benzimidazol-2-amine
CID 126502975
N-(3,5-difluorophenyl)-1H-benzimidazol-2-amine
CID 15604437
[1-(1H-benzimidazol-2-ylamino)-3-methylcyclohexyl]methanol
CID 55129797
1-[4-(1H-benzimidazol-2-ylamino)phenyl]-3-methylbutan-2-one
CID 59609955

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylamino)benzonitrile;methylcyclohexane?
The IUPAC name of 4-(1H-benzimidazol-2-ylamino)benzonitrile;methylcyclohexane (CID 144901645) is 4-(1H-benzimidazol-2-ylamino)benzonitrile;methylcyclohexane.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylamino)benzonitrile;methylcyclohexane?
The canonical SMILES for 4-(1H-benzimidazol-2-ylamino)benzonitrile;methylcyclohexane is CC1CCCCC1.N#Cc1ccc(Nc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylamino)benzonitrile;methylcyclohexane?
The InChIKey is RYISLYSEYDFXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4.C7H14/c15-9-10-5-7-11(8-6-10)16-14-17-12-3-1-2-4-13(12)18-14;1-7-5-3-2-4-6-7/h1-8H,(H2,16,17,18);7H,2-6H2,1H3.
What are the key properties of 4-(1H-benzimidazol-2-ylamino)benzonitrile;methylcyclohexane?
4-(1H-benzimidazol-2-ylamino)benzonitrile;methylcyclohexane has a molecular weight of 332.45 g/mol, XLogP of 5.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylamino)benzonitrile;methylcyclohexane is sourced from PubChem (CID 144901645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).